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LB42708

CAT: 0957-S7467-02Size: 50 mgDry Ice: YesHazardous: No
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CAT#:0957-S7467-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LB42708 is an orally active farnesyltransferase (FTase) inhibitor with IC50 of 0.8, 1.2, and 2.0 nM toward H-ras, N-ras, and K-ras, respectively.
CAS Number
226929-39-1
Target
Transferase
Activity
Metabolism
Molecular Formula
C30H27BrN4O2
Storage Conditions
2 years -80 in solvent

Chemical Information

LB42708

farnesyltransferase inhibitor; structure in first source

CAS Number226929-39-1
PubChem CID10099206
IUPAC Name[1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrol-3-yl]-morpholin-4-ylmethanone
Molecular FormulaC30H27BrN4O2
Molecular Weight555.5
XLogP4.6
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity756
SMILES
C1COCCN1C(=O)C2=CN(C=C2C3=CC=CC4=CC=CC=C43)CC5=CN=CN5CC6=CC=C(C=C6)Br
InChI
InChI=1S/C30H27BrN4O2/c31-24-10-8-22(9-11-24)17-35-21-32-16-25(35)18-33-19-28(27-7-3-5-23-4-1-2-6-26(23)27)29(20-33)30(36)34-12-14-37-15-13-34/h1-11,16,19-21H,12-15,17-18H2
InChIKey
GUUIRIMAQGOLHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LB42708
CAS: 226929-39-1
CID: 10099206
Formula: C30H27BrN4O2
MW: 555.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight555.5
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass554.13174
Monoisotopic Mass554.13174
Topological Polar Surface Area52.3 Ų
Heavy Atom Count37
Formal Charge0
Complexity756
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B3703-5.1LB42708
A14020-100LB42708 100mg
A14020-25LB42708 25mg
A14020-5LB42708 5mg
A14020-50LB42708 50mg
A14020-2LB42708 2mg
A14020-1LB42708 1mg
A14020-10LB42708 10mg
A14020-10mM-DLB42708 10mM * 1mL in DMSO

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